2-(2,4-dichlorophenyl)-3-(2,3-difluorophenyl)-3-oxopropanenitrile

C15H7Cl2F2NO — CID 62649588

IUPAC2-(2,4-dichlorophenyl)-3-(2,3-difluorophenyl)-3-oxopropanenitrile
SMILESN#CC(C(=O)c1cccc(F)c1F)c1ccc(Cl)cc1Cl
InChIInChI=1S/C15H7Cl2F2NO/c16-8-4-5-9(12(17)6-8)11(7-20)15(21)10-2-1-3-13(18)14(10)19/h1-6,11H
InChIKeySPOKFUHGJVAMMP-UHFFFAOYSA-N
MW326.13 g/mol
LogP4.76
Rot. Bonds3

About 2-(2,4-dichlorophenyl)-3-(2,3-difluorophenyl)-3-oxopropanenitrile

2-(2,4-dichlorophenyl)-3-(2,3-difluorophenyl)-3-oxopropanenitrile (PubChem CID 62649588) has the molecular formula C15H7Cl2F2NO and a molecular weight of 326.13 g/mol. Its IUPAC name is 2-(2,4-dichlorophenyl)-3-(2,3-difluorophenyl)-3-oxopropanenitrile.

Molecular Properties

Compound Name2-(2,4-dichlorophenyl)-3-(2,3-difluorophenyl)-3-oxopropanenitrile
PubChem CID62649588
Molecular FormulaC15H7Cl2F2NO
Molecular Weight326.13 g/mol
Exact Mass324.99
IUPAC Name2-(2,4-dichlorophenyl)-3-(2,3-difluorophenyl)-3-oxopropanenitrile
SMILESN#CC(C(=O)c1cccc(F)c1F)c1ccc(Cl)cc1Cl
InChIInChI=1S/C15H7Cl2F2NO/c16-8-4-5-9(12(17)6-8)11(7-20)15(21)10-2-1-3-13(18)14(10)19/h1-6,11H
InChIKeySPOKFUHGJVAMMP-UHFFFAOYSA-N
XLogP4.76
TPSA40.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.13
LogP ≤ 54.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-chlorophenyl)-3-(2,3-difluorophenyl)-3-oxopropanenitrile
CID 62649429
2-(2,4-dichlorophenyl)-3-(2-iodophenyl)-3-oxopropanenitrile
CID 43334391
2-(2-chlorophenyl)-3-oxo-3-(2,3,4-trifluorophenyl)propanenitrile
CID 79754893
2-(3-chloro-2-fluorophenyl)-3-(4-chloro-2-fluorophenyl)-3-oxopropanenitrile
CID 82788937
3-(2-bromo-4-chlorophenyl)-2-(2-chloro-4-fluorophenyl)-3-oxopropanenitrile
CID 107988524
2-(2-chloro-4-fluorophenyl)-3-(2-methylphenyl)-3-oxopropanenitrile
CID 63037247
3-(2,3-dichlorophenyl)-2-(2,4-difluorophenyl)-3-oxopropanenitrile
CID 64560290
2-(2,4-dichlorophenyl)-3-(furan-3-yl)-3-oxopropanenitrile
CID 43334414
2-(2-chloro-4-fluorophenyl)-3-(2-methoxyphenyl)-3-oxopropanenitrile
CID 63037595
3-(2-bromo-5-methylphenyl)-2-(2,4-dichlorophenyl)-3-oxopropanenitrile
CID 81110130
3-(4-chloro-2-fluorophenyl)-2-(2,6-dichlorophenyl)-3-oxopropanenitrile
CID 43333874
2-(2,4-dichlorophenyl)-3-oxo-3-thiophen-3-ylpropanenitrile
CID 43334418

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dichlorophenyl)-3-(2,3-difluorophenyl)-3-oxopropanenitrile?
The IUPAC name of 2-(2,4-dichlorophenyl)-3-(2,3-difluorophenyl)-3-oxopropanenitrile (CID 62649588) is 2-(2,4-dichlorophenyl)-3-(2,3-difluorophenyl)-3-oxopropanenitrile.
What is the SMILES notation for 2-(2,4-dichlorophenyl)-3-(2,3-difluorophenyl)-3-oxopropanenitrile?
The canonical SMILES for 2-(2,4-dichlorophenyl)-3-(2,3-difluorophenyl)-3-oxopropanenitrile is N#CC(C(=O)c1cccc(F)c1F)c1ccc(Cl)cc1Cl.
What is the InChIKey of 2-(2,4-dichlorophenyl)-3-(2,3-difluorophenyl)-3-oxopropanenitrile?
The InChIKey is SPOKFUHGJVAMMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H7Cl2F2NO/c16-8-4-5-9(12(17)6-8)11(7-20)15(21)10-2-1-3-13(18)14(10)19/h1-6,11H.
What are the key properties of 2-(2,4-dichlorophenyl)-3-(2,3-difluorophenyl)-3-oxopropanenitrile?
2-(2,4-dichlorophenyl)-3-(2,3-difluorophenyl)-3-oxopropanenitrile has a molecular weight of 326.13 g/mol, XLogP of 4.76, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dichlorophenyl)-3-(2,3-difluorophenyl)-3-oxopropanenitrile is sourced from PubChem (CID 62649588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).